3-Indoleacetonitrile
Agrochemicals 2025-03-02
3-Indoleacetonitrile (CAS No. 771-51-7)
1. Basic Information
- IUPAC Name: 2-(1H-Indol-3-yl)acetonitrile
- Synonyms:
- Indole-3-acetonitrile
- IAN
- 3-Cyanomethylindole
- CAS Number: 771-51-7
- Molecular Formula: C₁₀H₈N₂
- Molecular Weight: 156.18 g/mol
- Appearance: White to pale yellow crystalline powder
- Odor: Characteristic indole-like odor
2. Physical and Chemical Properties
| Property | Value |
|---|---|
| Melting Point | 150–153°C (302–307°F) |
| Solubility | – Water: Slightly soluble (0.5 g/L at 25°C) |
| – Organic solvents: Soluble in ethanol, DMSO, methanol | |
| Log Pow | 1.8 (octanol/water) |
| Refractive Index | 1.620 (20°C) |
| Flash Point | >150°C (302°F) (closed cup) |
3. Hazards (GHS Classification)
- Health Hazards:
- Harmful if swallowed (H302)
- Causes skin irritation (H315)
- Causes serious eye irritation (H319)
- Environmental: Toxic to aquatic life (H411)
- NFPA Rating: Health 2, Flammability 1, Reactivity 0
4. Storage and Handling
- Storage:
- Keep in tightly sealed amber containers
- Store in a cool, dry, well-ventilated area
- Handling:
- Use nitrile gloves, safety goggles, and a fume hood
- Avoid dust formation
5. Applications
- Plant Growth Regulator:
- Precursor to indole-3-acetic acid (IAA, a natural auxin)
- Pharmaceuticals:
- Intermediate for serotonin analogs
- Organic Synthesis:
- Building block for heterocyclic compounds
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